(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide

C20H21N3O4S — CID 118712709

IUPAC(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+
InChIKeyRKTSEYQWZIYBNK-DHZHZOJOSA-N
MW399.47 g/mol
LogP2.22
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide (PubChem CID 118712709) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
PubChem CID118712709
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+
InChIKeyRKTSEYQWZIYBNK-DHZHZOJOSA-N
XLogP2.22
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide (CID 118712709) is (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide is Cn1cc(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21.
What is the InChIKey of (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The InChIKey is RKTSEYQWZIYBNK-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide has a molecular weight of 399.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[2-(1-methylindol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 118712709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).